Information card for entry 2213790

Structure parameters

• Chemical name: Benzyl 2-{(<i>tert</i>-butyldimethylsilyloxy)[1-(4-nitrophenyl)-2,5-dioxo- tetrahydro-1<i>H</i>-furo[3,2-<i>d</i>]oxazol-6a-yl]methyl}acrylate
• Formula: C28 H32 N2 O9 Si
• Calculated formula: C28 H32 N2 O9 Si
• SMILES: [Si](C)(C)(C(C)(C)C)O[C@H]([C@]12CC(=O)O[C@H]1OC(=O)N2c1ccc(N(=O)=O)cc1)C(=C)C(=O)OCc1ccccc1.[Si](C)(C)(C(C)(C)C)O[C@@H]([C@@]12CC(=O)O[C@@H]1OC(=O)N2c1ccc(N(=O)=O)cc1)C(=C)C(=O)OCc1ccccc1
• Title of publication: Benzyl 2-{(<i>tert</i>-butyldimethylsilyloxy)[1-(4-nitrophenyl)-2,5-dioxotetrahydro-1<i>H</i>-furo[3,2-<i>d</i>]oxazol-6a-yl]methyl}acrylate
• Authors of publication: Patil, S.P.; Craig, D.C.; Liu, F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3021 - o3021
• a: 9.68 ± 0.003 Å
• b: 11.674 ± 0.005 Å
• c: 13.565 ± 0.006 Å
• α: 88.75 ± 0.03°
• β: 79.74 ± 0.02°
• γ: 77.13 ± 0.03°
• Cell volume: 1470.2 ± 1 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No